9I4L

Galectin-1 in Complex with Methyl 2'-fluoro-N-acetyllactosaminide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	44.250, 58.270, 111.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.179 - 1.425
Rwork	0.165
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.926
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	1.510
High resolution limit [Å]	1.425	1.430
Rmeas	0.086	3.902
Number of reflections	54461	8400
<I/σ(I)>	16.64
Completeness [%]	99.4	96.5
Redundancy	12.8	12.6
CC(1/2)	1.000	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION		291	0.1M Tris-Cl, pH8, 0.2M lithium sulfate, 30% PEG 3350